Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-766376

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-766376
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Fe', 'P', 'O']
  • Chemical System: Fe-Li-Mn-O-P
  • Density: 3.3654740164517336
  • Atomic Density: 0.0903196369720081
  • Unit Cell Volume: 620.0202068721285
  • Molar Volume: 6.66758742826478
  • Full Formula: Li8 Mn6 Fe2 P8 O32
  • Reduced Formula: Li4Mn3Fe(PO4)4
  • Formula Anonymous: AB3C4D4E16
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -434.03242688
  • Final energy per atom: -7.750579051428572
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.